BDBM36538 5-fluoro-2-phenoxylphenol::PT55::US10071965, Compound PT55

SMILES Oc1cc(F)ccc1Oc1ccccc1

InChI Key InChIKey=DEMPPYSGPXLMNG-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 36538   

TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
The Research Foundation For The State University Of New York

US Patent
LigandPNGBDBM36538(5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...)
Affinity DataKi:  1.10nM ΔG°:  -12.2kcal/molepH: 7.5 T: 2°CAssay Description:10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reac...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
The Research Foundation For The State University Of New York

US Patent
LigandPNGBDBM36538(5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...)
Affinity DataKi:  1.42nMpH: 7.5Assay Description:ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
The Research Foundation For The State University Of New York

US Patent
LigandPNGBDBM36538(5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...)
Affinity DataKi:  92.6nMpH: 7.5Assay Description:Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20° C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Francisella tularensis)
Stony Brook University

LigandPNGBDBM36538(5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...)
Affinity DataKi:  289nM ΔG°:  -8.91kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constant binding to E-NAD+More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed